# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/7ed10f6d-bb47-452e-8ba4-41f2bfb80573/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for Er2Si2O7 / P2_1/c (14) / materials id 7624](https://mdr.nims.go.jp/datasets/e46feabf-f6b0-42b7-9943-5f07e7729acc) ## Fulltext elements: [O, Si, Er]cutoff: 8.0pair_type: gaussianfeature_type: gtinvmodel_type: 3max_p: 2max_l: 8gtinv_order: 3gtinv_maxl: [8, 8]gtinv_sym: [0, 0]gtinv_version: 1electrostatic: 0mass: [16.0, 28.09, 167.3]n_pair_params: 11pair_params:- [1.0, 0.0]- [1.0, 0.7777777777777778]- [1.0, 1.5555555555555556]- [1.0, 2.3333333333333335]- [1.0, 3.111111111111111]- [1.0, 3.888888888888889]- [1.0, 4.666666666666667]- [1.0, 5.444444444444445]- [1.0, 6.222222222222222]- [1.0, 7.0]- [0.0, 0.0]n_type_pairs: 6type_pairs:- atom_type_pair: [0, 0] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [0, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [0, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [1, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [2, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1, 2]n_coeffs: 38511coeffs: [1.230242949578399e+01, -1.417907823008226e-01, 3.432025750156691e-01, 4.110974628006586e+01, 5.310843943302492e+02, 6.851969819760333e+02, 2.841691891081342e+03, 1.375009453779884e+02, 7.715097078273465e+03, 3.225854032377279e+00, 6.554242086206192e+01, 5.441814078053780e+03, 6.027166228174968e+03, 1.014984179610016e+02, 3.175067734315487e+05, 3.949986455046953e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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